3-(3-chloranyl-4-methoxy-phenyl)-N-[2-[3-(4-methylpiperidin-1-yl)propylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-N-[2-[3-(4-methylpiperidin-1-yl)propylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-N-[2-[3-(4-methyl-1-piperidyl)propylamino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(3-chloro-4-methoxyphenyl)-N-[2-[3-(4-methyl-1-piperidinyl)propylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-N-[2-[3-(4-methylpiperidin-1-yl)propylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-4-keto-N-[2-keto-2-[3-(4-methylpiperidino)propylamino]ethyl]phthalazine-1-carboxamide Formula: C27H32ClN5O4 MolecularWeight: 526.02708

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CCCNC(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CC1CCN(CC1)CCCNC(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C27H32ClN5O4/c1-18-10-14-32(15-11-18)13-5-12-29-24(34)17-30-26(35)25-20-6-3-4-7-21(20)27(36)33(31-25)19-8-9-23(37-2)22(28)16-19/h3-4,6-9,16,18H,5,10-15,17H2,1-2H3,(H,29,34)(H,30,35)